Molecule

Marthiapeptide A

AlkaPlorer ID: AK001762

Synonym: None

IUPAC Name: (13R,16R,19S,22R)-16-benzyl-19-[(2S)-butan-2-yl]-22-methyl-3,7,11,24-tetrathia-15,18,21,26,27,28,29-heptazapentacyclo[21.2.1.12,5.16,9.110,13]nonacosa-1(25),2(29),4,6(28),8,10(27),23(26)-heptaene-14,17,20-trione

Structure

SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@@H](CC2=CC=CC=C2)N=C(O)[C@@H]2CSC(=N2)C2=CSC(=N2)C2=CSC(=N2)C2=CSC(=N2)[C@@H](C)N=C1O

InChI: InChI=1S/C30H31N7O3S4/c1-4-15(2)23-26(40)31-16(3)27-34-20(12-41-27)29-36-22(14-43-29)30-35-21(13-44-30)28-33-19(11-42-28)25(39)32-18(24(38)37-23)10-17-8-6-5-7-9-17/h5-9,12-16,18-19,23H,4,10-11H2,1-3H3,(H,31,40)(H,32,39)(H,37,38)/t15-,16+,18+,19-,23-/m0/s1

InChIKey: BTQRWSUKDHTMKD-DUKGZVIDSA-N

Reference

Marthiapeptide A, an Anti-infective and Cytotoxic Polythiazole Cyclopeptide from a 60 L Scale Fermentation of the Deep Sea-Derived <i>Marinactinospora thermotolerans</i> SCSIO 00652

PubChem CID: 71459810

LOTUS: LTS0099570

NPASS: NPC49051

{

NPAtlas: NPA001576

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Marinactinospora	Nocardiopsaceae	Streptosporangiales	Actinomycetes	Actinomycetota	None	Bacteria
Marinactinospora thermotolerans	Marinactinospora	Nocardiopsaceae	Streptosporangiales	Actinomycetes	Actinomycetota	None	Bacteria

Properties Information

Molecule Weight: 665.892

TPSA？: 148.79999999999998

MolLogP？: 7.222200000000007

Number of H-Donors: 3

Number of H-Acceptors: 11

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Bacillus subtilis	Bacillus subtilis	MIC	4.0	ug.mL-1	10.1021/np300554f
Bacillus thuringiensis	Bacillus thuringiensis	MIC	2.0	ug.mL-1	10.1021/np300554f
Escherichia coli	Escherichia coli	MIC	128.0	ug.mL-1	10.1021/np300554f
Homo sapiens	HepG2	IC50	520.0	nM	10.1021/np300554f
Homo sapiens	HepG2	Ratio IC50	5.0	None	10.1021/np300554f
Homo sapiens	MCF7	IC50	430.0	nM	10.1021/np300554f
Homo sapiens	MCF7	Ratio IC50	5.0	None	10.1021/np300554f
Homo sapiens	NCI-H460	IC50	470.0	nM	10.1021/np300554f
Homo sapiens	NCI-H460	Ratio IC50	5.0	None	10.1021/np300554f
Homo sapiens	SF-268	IC50	380.0	nM	10.1021/np300554f
Homo sapiens	SF-268	Ratio IC50	5.0	None	10.1021/np300554f
Micrococcus luteus	Micrococcus luteus	MIC	2.0	ug.mL-1	10.1021/np300554f
Staphylococcus aureus	Staphylococcus aureus	MIC	8.0	ug.mL-1	10.1021/np300554f
None	NON-PROTEIN TARGET	MIC	128.0	ug.mL-1	10.1021/np300554f
None	Nucleic Acid	Activity	nan	None	10.1021/np300554f
None	Nucleic Acid	Delta Tm	0.9	degrees C	10.1021/np300554f